[4-fluoro-2-(5-methyl-2H-triazol-4-yl)phenyl]methanamine

C10H11FN4 — CID 91214798

IUPAC[4-fluoro-2-(5-methyl-2H-triazol-4-yl)phenyl]methanamine
SMILESCc1n[nH]nc1-c1cc(F)ccc1CN
InChIInChI=1S/C10H11FN4/c1-6-10(14-15-13-6)9-4-8(11)3-2-7(9)5-12/h2-4H,5,12H2,1H3,(H,13,14,15)
InChIKeyVHRYJOHLYXGIHM-UHFFFAOYSA-N
MW206.22 g/mol
LogP1.38
Rot. Bonds2

About [4-fluoro-2-(5-methyl-2H-triazol-4-yl)phenyl]methanamine

[4-fluoro-2-(5-methyl-2H-triazol-4-yl)phenyl]methanamine (PubChem CID 91214798) has the molecular formula C10H11FN4 and a molecular weight of 206.22 g/mol. Its IUPAC name is [4-fluoro-2-(5-methyl-2H-triazol-4-yl)phenyl]methanamine.

Molecular Properties

Compound Name[4-fluoro-2-(5-methyl-2H-triazol-4-yl)phenyl]methanamine
PubChem CID91214798
Molecular FormulaC10H11FN4
Molecular Weight206.22 g/mol
Exact Mass206.10
IUPAC Name[4-fluoro-2-(5-methyl-2H-triazol-4-yl)phenyl]methanamine
SMILESCc1n[nH]nc1-c1cc(F)ccc1CN
InChIInChI=1S/C10H11FN4/c1-6-10(14-15-13-6)9-4-8(11)3-2-7(9)5-12/h2-4H,5,12H2,1H3,(H,13,14,15)
InChIKeyVHRYJOHLYXGIHM-UHFFFAOYSA-N
XLogP1.38
TPSA67.59 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.22
LogP ≤ 51.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of [4-fluoro-2-(5-methyl-2H-triazol-4-yl)phenyl]methanamine?
The IUPAC name of [4-fluoro-2-(5-methyl-2H-triazol-4-yl)phenyl]methanamine (CID 91214798) is [4-fluoro-2-(5-methyl-2H-triazol-4-yl)phenyl]methanamine.
What is the SMILES notation for [4-fluoro-2-(5-methyl-2H-triazol-4-yl)phenyl]methanamine?
The canonical SMILES for [4-fluoro-2-(5-methyl-2H-triazol-4-yl)phenyl]methanamine is Cc1n[nH]nc1-c1cc(F)ccc1CN.
What is the InChIKey of [4-fluoro-2-(5-methyl-2H-triazol-4-yl)phenyl]methanamine?
The InChIKey is VHRYJOHLYXGIHM-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11FN4/c1-6-10(14-15-13-6)9-4-8(11)3-2-7(9)5-12/h2-4H,5,12H2,1H3,(H,13,14,15).
What are the key properties of [4-fluoro-2-(5-methyl-2H-triazol-4-yl)phenyl]methanamine?
[4-fluoro-2-(5-methyl-2H-triazol-4-yl)phenyl]methanamine has a molecular weight of 206.22 g/mol, XLogP of 1.38, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [4-fluoro-2-(5-methyl-2H-triazol-4-yl)phenyl]methanamine is sourced from PubChem (CID 91214798), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).